chempirical

3-Methoxycatechol

C7H8O3CAS 934-00-9140.14 g/mol

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OOHHO
EtherPhenol

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
42.8 °C
Boiling point
129 °C (at 10 Torr)
logP
1.11Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
934-00-9
SMILES
COc1cccc(O)c1O
InChIKey
LPYUENQFPVNPHY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3

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Names and synonyms

14 names · show all
  • 1,2-Benzenediol, 3-methoxy-
  • Pyrocatechol, 3-methoxy-
  • 3-Methoxy-1,2-benzenediol
  • 3-Methoxypyrocatechol
  • Pyrogallol 1-monomethyl ether
  • Pyrogallol 1-methyl ether
  • 2,3-Dihydroxyanisole
  • 1,2-Dihydroxy-3-methoxybenzene
  • 2-Hydroxy-3-methoxyphenol
  • 6-Methoxycatechol
  • 3-Methoxy-o-hydroquinone
  • 3-Methoxy-1,2-dihydroxybenzene
  • 1-O-Methylpyrogallol
  • NSC 66525

Reactions

Work with 3-Methoxycatechol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Syringol91-10-175 % similar Guaiacol90-05-165 % similar 2,3-Dimethoxyphenol5150-42-564 % similar 2-Hydroxy-3-methoxybenzenemethanol4383-05-556 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-756 % similar Ortho-vanillin148-53-855 % similar Pyrogallol87-66-154 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8

Elsewhere

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